pyzag integration

include/neml2/models/LinearInterpolation.h

@@ -95,17 +95,6 @@ class LinearInterpolation : public Interpolation<T>
    */
   template <typename T2>
   T2 mask(const T2 & in, const torch::Tensor & m) const;
-
-  /// Batch shape of the interpolant, excluding the last dimension which is the interpolation axis
-  const TensorShape _interp_batch_sizes;
-  /// Starting abscissa of each interval
-  const Scalar & _X0;
-  /// Ending abscissa of each interval
-  const Scalar & _X1;
-  /// Starting ordinate of each interval
-  const T & _Y0;
-  /// Slope of each interval
-  const T & _slope;
 };
 
 template <typename T>

include/neml2/models/SmoothLinearInterpolation.h

@@ -0,0 +1,67 @@
+// Copyright 2024, UChicago Argonne, LLC
+// All Rights Reserved
+// Software Name: NEML2 -- the New Engineering material Model Library, version 2
+// By: Argonne National Laboratory
+// OPEN SOURCE LICENSE (MIT)
+//
+// Permission is hereby granted, free of charge, to any person obtaining a copy
+// of this software and associated documentation files (the "Software"), to deal
+// in the Software without restriction, including without limitation the rights
+// to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+// copies of the Software, and to permit persons to whom the Software is
+// furnished to do so, subject to the following conditions:
+//
+// The above copyright notice and this permission notice shall be included in
+// all copies or substantial portions of the Software.
+//
+// THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+// IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+// FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+// AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+// LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+// OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
+// THE SOFTWARE.
+
+#pragma once
+
+#include "neml2/models/Interpolation.h"
+
+namespace neml2
+{
+/**
+ * @brief Regularized version of neml2::LinearInterpolation rendered fully differentiable
+ */
+template <typename T>
+class SmoothLinearInterpolation : public Interpolation<T>
+{
+public:
+  static OptionSet expected_options();
+
+  SmoothLinearInterpolation(const OptionSet & options);
+
+protected:
+  void set_value(bool out, bool dout_din, bool d2out_din2) override;
+
+private:
+  /// @returns the smooth interpolation factor given the interval offset between 0 and 1
+  Scalar smooth_interp_factor(const Scalar & x) const;
+
+  /// @returns the first derivative of the smooth interpolation function
+  Scalar d_smooth_interp_factor(const Scalar & x) const;
+
+  /// Sharpness of the smooth interpolation
+  const Real _k;
+  /// Starting abscissa of each interval
+  const Scalar & _X0;
+  /// Ending abscissa of each interval
+  const Scalar & _X1;
+  /// Starting ordinate of each interval
+  const T & _Y0;
+  /// Ending ordinate of each interval
+  const T & _Y1;
+};
+
+typedef SmoothLinearInterpolation<Scalar> ScalarSmoothLinearInterpolation;
+typedef SmoothLinearInterpolation<Vec> VecSmoothLinearInterpolation;
+typedef SmoothLinearInterpolation<SR2> SR2SmoothLinearInterpolation;
+} // namespace neml2

include/neml2/models/solid_mechanics/KocksMeckingIntercept.h

@@ -0,0 +1,53 @@
+// Copyright 2024, UChicago Argonne, LLC
+// All Rights Reserved
+// Software Name: NEML2 -- the New Engineering material Model Library, version 2
+// By: Argonne National Laboratory
+// OPEN SOURCE LICENSE (MIT)
+//
+// Permission is hereby granted, free of charge, to any person obtaining a copy
+// of this software and associated documentation files (the "Software"), to deal
+// in the Software without restriction, including without limitation the rights
+// to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+// copies of the Software, and to permit persons to whom the Software is
+// furnished to do so, subject to the following conditions:
+//
+// The above copyright notice and this permission notice shall be included in
+// all copies or substantial portions of the Software.
+//
+// THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+// IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+// FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+// AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+// LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+// OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
+// THE SOFTWARE.
+
+#pragma once
+
+#include "neml2/models/NonlinearParameter.h"
+
+namespace neml2
+{
+/**
+ * @brief A scalar-valued parameter defined by (C-B) / A
+ */
+class KocksMeckingIntercept : public NonlinearParameter<Scalar>
+{
+public:
+  static OptionSet expected_options();
+
+  KocksMeckingIntercept(const OptionSet & options);
+
+protected:
+  void set_value(bool out, bool dout_din, bool d2out_din2) override;
+
+  /// KM A
+  const Scalar & _A;
+
+  /// KM B
+  const Scalar & _B;
+
+  /// KM C
+  const Scalar & _C;
+};
+}

include/neml2/tensors/LabeledMatrix.h

@@ -44,10 +44,6 @@ class LabeledMatrix : public LabeledTensor<LabeledMatrix, 2>
                                 const LabeledAxis & axis,
                                 const torch::TensorOptions & options = default_tensor_options());
 
-  /// Fill another matrix into this matrix.
-  /// The item set of the other matrix must be a subset of this matrix's item set.
-  void fill(const LabeledMatrix & other, bool recursive = true);
-
   /// Chain rule product of two derivatives
   LabeledMatrix chain(const LabeledMatrix & other) const;
 };

include/neml2/tensors/LabeledTensor.h

@@ -160,6 +160,15 @@ class LabeledTensor
   /// Get a specific labeled axis
   const LabeledAxis & axis(Size i = 0) const { return *_axes[i]; }
 
+  /**
+   * @brief Fill with another LabeledTensor that matches this one on all but one axis
+   *
+   * @param Derived The LabeledTensor to fill from
+   * @param Size The common axis, default 0
+   * @param bool If true, fill recursively down subaxes
+   */
+  void fill(const Derived & other, Size odim = 0, bool recursive = true);
+
 protected:
   /// The tensor
   Tensor _tensor;

include/neml2/tensors/LabeledVector.h

@@ -41,10 +41,6 @@ class LabeledVector : public LabeledTensor<LabeledVector, 1>
 
   /// Slice the logically 1D tensor by a single sub-axis
   LabeledVector slice(const std::string & name) const;
-
-  /// Fill (override) another vector into this vector.
-  /// The item set of the other vector must be a subset of this vector's item set.
-  void fill(const LabeledVector & other, bool recursive = true);
 };
 
 namespace utils

python/CMakeLists.txt

@@ -33,9 +33,13 @@ add_custom_target(python-stub ALL
 # Artifacts
 configure_file(neml2/__init__.py ${NEML2_BINARY_DIR}/python/neml2/__init__.py COPYONLY)
 configure_file(neml2/visualization.py ${NEML2_BINARY_DIR}/python/neml2/visualization.py COPYONLY)
+configure_file(neml2/pyzag/__init__.py ${NEML2_BINARY_DIR}/python/neml2/pyzag/__init__.py COPYONLY)
+configure_file(neml2/pyzag/interface.py ${NEML2_BINARY_DIR}/python/neml2/pyzag/interface.py COPYONLY)
 install(FILES
   neml2/__init__.py
   neml2/visualization.py
+  neml2/pyzag/__init__.py
+  neml2/pyzag/interface.py
   ${NEML2_BINARY_DIR}/python/neml2/__init__.pyi
   ${NEML2_BINARY_DIR}/python/neml2/base.pyi
   ${NEML2_BINARY_DIR}/python/neml2/math.pyi